1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

C15H24N6O — CID 112942384

IUPAC1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cnnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C15H24N6O/c1-12(22)20-7-9-21(10-8-20)14-11-16-19-15(18-14)17-13-5-3-2-4-6-13/h11,13H,2-10H2,1H3,(H,17,18,19)
InChIKeyDLCOAIFUJSJJMX-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone

1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (PubChem CID 112942384) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
PubChem CID112942384
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cnnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C15H24N6O/c1-12(22)20-7-9-21(10-8-20)14-11-16-19-15(18-14)17-13-5-3-2-4-6-13/h11,13H,2-10H2,1H3,(H,17,18,19)
InChIKeyDLCOAIFUJSJJMX-UHFFFAOYSA-N
XLogP1.28
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-cyclohexyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941042
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112942382
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112941659
ethyl 4-[[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112945813
ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112942609
1-[4-[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112871211
1-[4-[[5-(4-acetylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112946951
1-[4-[3-(4-fluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946922
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
1-[4-[3-(2,6-dichloroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946986
1-[4-[2-(cycloheptylamino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254645

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone (CID 112942384) is 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cnnc(NC3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
The InChIKey is DLCOAIFUJSJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-12(22)20-7-9-21(10-8-20)14-11-16-19-15(18-14)17-13-5-3-2-4-6-13/h11,13H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone?
1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone has a molecular weight of 304.40 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(cyclohexylamino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112942384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).